2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine

C7H4Cl2N4 — CID 58503770

IUPAC2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine
SMILESClc1cc(-c2ncn[nH]2)cc(Cl)n1
InChIInChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)12-5)7-10-3-11-13-7/h1-3H,(H,10,11,13)
InChIKeyREPCQACPXDMMPG-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.17
Rot. Bonds1

About 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine

2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 58503770) has the molecular formula C7H4Cl2N4 and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID58503770
Molecular FormulaC7H4Cl2N4
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine
SMILESClc1cc(-c2ncn[nH]2)cc(Cl)n1
InChIInChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)12-5)7-10-3-11-13-7/h1-3H,(H,10,11,13)
InChIKeyREPCQACPXDMMPG-UHFFFAOYSA-N
XLogP2.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine (CID 58503770) is 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine is Clc1cc(-c2ncn[nH]2)cc(Cl)n1.
What is the InChIKey of 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is REPCQACPXDMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)12-5)7-10-3-11-13-7/h1-3H,(H,10,11,13).
What are the key properties of 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine?
2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 215.04 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 58503770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).